N-[(E)-but-2-enyl]-2,2-dimethylpentanamide

C11H21NO — CID 146310993

IUPACN-[(E)-but-2-enyl]-2,2-dimethylpentanamide
SMILESC/C=C/CNC(=O)C(C)(C)CCC
InChIInChI=1S/C11H21NO/c1-5-7-9-12-10(13)11(3,4)8-6-2/h5,7H,6,8-9H2,1-4H3,(H,12,13)/b7-5+
InChIKeyHQSPZIJHURLRFW-FNORWQNLSA-N
MW183.29 g/mol
LogP2.51
Rot. Bonds5

About N-[(E)-but-2-enyl]-2,2-dimethylpentanamide

N-[(E)-but-2-enyl]-2,2-dimethylpentanamide (PubChem CID 146310993) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-2,2-dimethylpentanamide.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-2,2-dimethylpentanamide
PubChem CID146310993
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[(E)-but-2-enyl]-2,2-dimethylpentanamide
SMILESC/C=C/CNC(=O)C(C)(C)CCC
InChIInChI=1S/C11H21NO/c1-5-7-9-12-10(13)11(3,4)8-6-2/h5,7H,6,8-9H2,1-4H3,(H,12,13)/b7-5+
InChIKeyHQSPZIJHURLRFW-FNORWQNLSA-N
XLogP2.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-2,2-dimethylpentanamide?
The IUPAC name of N-[(E)-but-2-enyl]-2,2-dimethylpentanamide (CID 146310993) is N-[(E)-but-2-enyl]-2,2-dimethylpentanamide.
What is the SMILES notation for N-[(E)-but-2-enyl]-2,2-dimethylpentanamide?
The canonical SMILES for N-[(E)-but-2-enyl]-2,2-dimethylpentanamide is C/C=C/CNC(=O)C(C)(C)CCC.
What is the InChIKey of N-[(E)-but-2-enyl]-2,2-dimethylpentanamide?
The InChIKey is HQSPZIJHURLRFW-FNORWQNLSA-N. The full InChI is InChI=1S/C11H21NO/c1-5-7-9-12-10(13)11(3,4)8-6-2/h5,7H,6,8-9H2,1-4H3,(H,12,13)/b7-5+.
What are the key properties of N-[(E)-but-2-enyl]-2,2-dimethylpentanamide?
N-[(E)-but-2-enyl]-2,2-dimethylpentanamide has a molecular weight of 183.29 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-2,2-dimethylpentanamide is sourced from PubChem (CID 146310993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).